Molecular dynamics simulation of methane hydrate dissociation by depressurisation
Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depress...
Published in: | Molecular Simulation |
---|---|
Main Authors: | , , , , |
Format: | Article in Journal/Newspaper |
Language: | English |
Published: |
2013
|
Subjects: | |
Online Access: | http://ir.giec.ac.cn/handle/344007/9160 https://doi.org/10.1080/08927022.2012.718437 |
id |
ftchacadsciegiec:oai:ir.giec.ac.cn:344007/9160 |
---|---|
record_format |
openpolar |
spelling |
ftchacadsciegiec:oai:ir.giec.ac.cn:344007/9160 2023-05-15T17:11:49+02:00 Molecular dynamics simulation of methane hydrate dissociation by depressurisation Yan, KeFeng Li, XiaoSen Chen, ZhaoYang Li, Bo Xu, ChunGang 2013-04-01 http://ir.giec.ac.cn/handle/344007/9160 https://doi.org/10.1080/08927022.2012.718437 英语 eng MOLECULAR SIMULATION http://ir.giec.ac.cn/handle/344007/9160 doi:10.1080/08927022.2012.718437 Methane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production Science & Technology Physical Sciences Chemistry Physics GAS HYDRATE ENERGY RESOURCE THERMAL-STIMULATION KINETIC INHIBITOR POROUS-MEDIA DECOMPOSITION INTERFACE MECHANISM HYDROGEN GROWTH Physical Atomic Molecular & Chemical Article 期刊论文 2013 ftchacadsciegiec https://doi.org/10.1080/08927022.2012.718437 2022-09-23T14:12:11Z Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depressurisation. The quasi-liquid layer is formed in the hydrate surface layer. The driving force of dissociation is found to be controlled by the concentration gradient between the H2O molecules of the hydrate surface layer and the H2O molecules of the hydrate inner layer. The clathrates collapse gradually, and the hydrate decomposes layer by layer. Relative to our previous MD simulation results, this study shows that the rate of the hydrate dissociation by depressurisation is slower than that by the thermal stimulation and the inhibitor injection. This study illustrated that MD simulation can play a significant role in investigating the hydrate decomposition mechanisms. Article in Journal/Newspaper Methane hydrate Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences: GIEC OpenIR Molecular Simulation 39 4 251 260 |
institution |
Open Polar |
collection |
Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences: GIEC OpenIR |
op_collection_id |
ftchacadsciegiec |
language |
English |
topic |
Methane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production Science & Technology Physical Sciences Chemistry Physics GAS HYDRATE ENERGY RESOURCE THERMAL-STIMULATION KINETIC INHIBITOR POROUS-MEDIA DECOMPOSITION INTERFACE MECHANISM HYDROGEN GROWTH Physical Atomic Molecular & Chemical |
spellingShingle |
Methane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production Science & Technology Physical Sciences Chemistry Physics GAS HYDRATE ENERGY RESOURCE THERMAL-STIMULATION KINETIC INHIBITOR POROUS-MEDIA DECOMPOSITION INTERFACE MECHANISM HYDROGEN GROWTH Physical Atomic Molecular & Chemical Yan, KeFeng Li, XiaoSen Chen, ZhaoYang Li, Bo Xu, ChunGang Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
topic_facet |
Methane Hydrate Depressurisation Molecular Dynamics Simulation Hydrate Production Science & Technology Physical Sciences Chemistry Physics GAS HYDRATE ENERGY RESOURCE THERMAL-STIMULATION KINETIC INHIBITOR POROUS-MEDIA DECOMPOSITION INTERFACE MECHANISM HYDROGEN GROWTH Physical Atomic Molecular & Chemical |
description |
Methane (CH4) hydrate dissociation and the mechanism by depressurisation are investigated by molecular dynamics (MD) simulation. The hydrate decomposition processes are studied by the vacuum removal method' and the normal method. It is found that the hydrate decomposition is promoted by depressurisation. The quasi-liquid layer is formed in the hydrate surface layer. The driving force of dissociation is found to be controlled by the concentration gradient between the H2O molecules of the hydrate surface layer and the H2O molecules of the hydrate inner layer. The clathrates collapse gradually, and the hydrate decomposes layer by layer. Relative to our previous MD simulation results, this study shows that the rate of the hydrate dissociation by depressurisation is slower than that by the thermal stimulation and the inhibitor injection. This study illustrated that MD simulation can play a significant role in investigating the hydrate decomposition mechanisms. |
format |
Article in Journal/Newspaper |
author |
Yan, KeFeng Li, XiaoSen Chen, ZhaoYang Li, Bo Xu, ChunGang |
author_facet |
Yan, KeFeng Li, XiaoSen Chen, ZhaoYang Li, Bo Xu, ChunGang |
author_sort |
Yan, KeFeng |
title |
Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
title_short |
Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
title_full |
Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
title_fullStr |
Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
title_full_unstemmed |
Molecular dynamics simulation of methane hydrate dissociation by depressurisation |
title_sort |
molecular dynamics simulation of methane hydrate dissociation by depressurisation |
publishDate |
2013 |
url |
http://ir.giec.ac.cn/handle/344007/9160 https://doi.org/10.1080/08927022.2012.718437 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
MOLECULAR SIMULATION http://ir.giec.ac.cn/handle/344007/9160 doi:10.1080/08927022.2012.718437 |
op_doi |
https://doi.org/10.1080/08927022.2012.718437 |
container_title |
Molecular Simulation |
container_volume |
39 |
container_issue |
4 |
container_start_page |
251 |
op_container_end_page |
260 |
_version_ |
1766068569881182208 |